2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine

C13H18N2O5 — CID 114468404

IUPAC2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine
SMILESCOc1ccc(COCC2CNCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O5/c1-18-13-3-2-10(6-12(13)15(16)17)8-19-9-11-7-14-4-5-20-11/h2-3,6,11,14H,4-5,7-9H2,1H3
InChIKeyZBKBBEUHOBXTGU-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.11
Rot. Bonds6

About 2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine

2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine (PubChem CID 114468404) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine.

Molecular Properties

Compound Name2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine
PubChem CID114468404
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine
SMILESCOc1ccc(COCC2CNCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O5/c1-18-13-3-2-10(6-12(13)15(16)17)8-19-9-11-7-14-4-5-20-11/h2-3,6,11,14H,4-5,7-9H2,1H3
InChIKeyZBKBBEUHOBXTGU-UHFFFAOYSA-N
XLogP1.11
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine
CID 114468447
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
CID 170603335
3-[2-[(4-methoxy-3-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795948
4,5-dimethoxy-N-(morpholin-2-ylmethyl)-2-nitroaniline
CID 83004079
(2S)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methylpiperazine
CID 82714108
2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]morpholine
CID 114468877
4-(morpholin-2-ylmethoxy)-7-nitro-2,1,3-benzoxadiazole
CID 114469249
2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine
CID 62336435
N-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 63299916
[2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine
CID 62244881
4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
CID 11735902
2-(quinolin-6-ylmethoxymethyl)morpholine
CID 114468331

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine?
The IUPAC name of 2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine (CID 114468404) is 2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine.
What is the SMILES notation for 2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine?
The canonical SMILES for 2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine is COc1ccc(COCC2CNCCO2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine?
The InChIKey is ZBKBBEUHOBXTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-18-13-3-2-10(6-12(13)15(16)17)8-19-9-11-7-14-4-5-20-11/h2-3,6,11,14H,4-5,7-9H2,1H3.
What are the key properties of 2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine?
2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine has a molecular weight of 282.30 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine is sourced from PubChem (CID 114468404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).